==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-11 3ZST . COMPND 2 MOLECULE: PUTATIVE GLUCANOHYDROLASE PEP1A GLGE ISOFORM 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR K.SYSON,C.E.M.STEVENSON,M.REJZEK,S.A.FAIRHURST,A.NAIR,C.J.BR . 1298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 864 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 91 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 4 2 0 3 1 0 2 4 3 3 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 16 5 9 0 8 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 2 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 15 A P 0 0 186 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 129.9 9.7 14.2 -14.3 2 16 A T - 0 0 119 2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.626 360.0-137.2 -90.3 144.4 12.5 16.8 -14.6 3 17 A V S S+ 0 0 153 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.887 91.8 61.4 -63.3 -39.6 14.3 18.3 -11.6 4 18 A V S S- 0 0 64 1,-0.1 -2,-0.2 4,-0.1 6,-0.1 -0.734 81.4-139.1 -94.2 142.5 14.1 21.8 -13.2 5 19 A G - 0 0 39 -2,-0.3 176,-0.1 2,-0.2 -1,-0.1 -0.134 35.1 -83.2 -88.9-171.4 10.8 23.4 -14.0 6 20 A R S S+ 0 0 118 1,-0.3 174,-0.1 174,-0.1 175,-0.1 0.918 126.5 29.4 -62.2 -49.7 9.5 25.5 -16.9 7 21 A I S S- 0 0 0 172,-0.3 -1,-0.3 85,-0.2 85,-0.2 -0.962 104.3-116.6-109.7 109.9 11.0 28.6 -15.5 8 22 A P + 0 0 17 0, 0.0 30,-1.2 0, 0.0 2,-0.4 -0.142 36.3 175.0 -51.3 126.5 14.1 27.7 -13.4 9 23 A V E +A 37 0A 18 28,-0.2 2,-0.3 173,-0.1 28,-0.2 -0.930 19.0 166.2-135.3 111.6 13.8 28.6 -9.7 10 24 A L E +A 36 0A 65 26,-2.5 26,-3.0 -2,-0.4 173,-0.1 -0.883 41.2 16.5-132.1 151.9 16.8 27.3 -7.9 11 25 A D E - 0 0 79 -2,-0.3 2,-0.2 24,-0.2 -1,-0.2 0.897 66.3-164.4 57.1 52.9 18.7 27.5 -4.6 12 26 A V E - 0 0 14 -3,-0.2 23,-0.2 23,-0.1 -1,-0.2 -0.488 21.6-119.3 -67.0 129.9 16.0 29.1 -2.5 13 27 A R E S+A 34 0A 89 21,-2.4 21,-2.5 -2,-0.2 2,-0.2 -0.945 81.4 52.8-124.7 156.1 17.4 30.5 0.8 14 28 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.412 70.6 162.5 -74.6 158.3 17.4 30.4 3.6 15 29 A V - 0 0 60 -2,-0.2 2,-0.5 7,-0.1 439,-0.1 -0.988 21.9-161.0-144.0 137.2 18.0 26.7 3.9 16 30 A V B > >S-D 21 0B 3 5,-0.6 5,-1.5 -2,-0.3 3,-1.4 -0.996 77.2 -13.7-123.0 121.9 19.2 24.8 6.8 17 31 A Q G > 5S- 0 0 86 -2,-0.5 3,-1.9 1,-0.3 -1,-0.1 0.878 124.5 -59.9 58.4 40.7 20.7 21.3 6.4 18 32 A R G 3 5S- 0 0 239 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.701 105.3 -48.9 62.3 26.3 19.4 21.1 2.8 19 33 A G G < 5S+ 0 0 25 -3,-1.4 -1,-0.3 2,-0.3 -2,-0.2 0.350 115.0 111.7 92.8 -1.1 15.8 21.5 4.0 20 34 A R T < 5S+ 0 0 207 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.607 81.4 35.2 -80.9 -10.8 16.0 18.8 6.7 21 35 A R B -e 191 0C 6 -2,-0.3 3,-2.3 164,-0.3 54,-0.3 -0.902 47.0 -72.8-119.7 160.6 10.0 35.0 15.6 27 41 A T T 3 S+ 0 0 61 164,-2.0 54,-0.2 -2,-0.3 55,-0.1 -0.243 121.2 15.2 -44.7 127.5 6.6 36.8 15.5 28 42 A G T 3 S+ 0 0 42 52,-2.6 2,-0.4 1,-0.2 -1,-0.3 0.370 94.6 133.6 86.5 -4.9 7.0 40.2 13.8 29 43 A E < - 0 0 9 -3,-2.3 51,-2.0 52,-0.2 2,-0.3 -0.659 42.4-150.8 -87.5 131.4 10.4 39.5 12.4 30 44 A S E + B 0 79A 34 -2,-0.4 2,-0.3 49,-0.2 49,-0.2 -0.739 22.3 161.1 -94.3 146.5 11.3 40.3 8.8 31 45 A F E - B 0 78A 10 47,-2.1 47,-3.0 -2,-0.3 2,-0.4 -0.970 37.5 -98.0-156.9 169.1 13.8 38.5 6.7 32 46 A E E - B 0 77A 79 -2,-0.3 2,-0.5 45,-0.2 45,-0.2 -0.743 20.8-163.5 -98.3 126.7 14.8 37.9 3.1 33 47 A V E - B 0 76A 0 43,-2.8 43,-2.1 -2,-0.4 2,-0.3 -0.948 24.8-179.2-100.7 130.0 13.7 34.9 1.0 34 48 A S E +AB 13 75A 11 -21,-2.5 -21,-2.4 -2,-0.5 2,-0.3 -0.908 12.5 174.3-128.0 164.7 15.9 34.7 -2.1 35 49 A A E - B 0 74A 0 39,-2.5 39,-3.3 -2,-0.3 2,-0.7 -0.984 37.0-109.7-160.6 160.9 16.3 32.5 -5.1 36 50 A T E +AB 10 73A 35 -26,-3.0 -26,-2.5 -2,-0.3 2,-0.4 -0.912 46.8 173.4 -95.5 116.0 18.1 32.2 -8.4 37 51 A V E +A 9 0A 0 35,-1.9 2,-0.3 -2,-0.7 -28,-0.2 -0.990 11.6 126.7-132.4 132.3 15.5 32.8 -11.1 38 52 A F - 0 0 73 -30,-1.2 2,-0.3 -2,-0.4 8,-0.1 -0.945 32.4-141.6-166.2 175.1 16.0 33.1 -14.9 39 53 A R - 0 0 48 -2,-0.3 2,-0.2 2,-0.2 -32,-0.1 -0.882 29.5 -85.6-143.4 176.9 14.7 31.7 -18.2 40 54 A E S S+ 0 0 91 -2,-0.3 3,-0.4 2,-0.0 2,-0.0 -0.524 92.6 19.0 -81.7 153.2 15.8 30.6 -21.6 41 55 A G S S- 0 0 56 1,-0.2 -2,-0.2 -2,-0.2 0, 0.0 -0.278 103.6 -69.5 80.0-165.9 16.0 33.3 -24.3 42 56 A H S S+ 0 0 194 2,-0.0 -1,-0.2 -2,-0.0 2,-0.1 0.365 87.8 114.0-113.3 4.7 16.2 37.0 -23.7 43 57 A D - 0 0 79 -3,-0.4 -4,-0.2 1,-0.1 2,-0.1 -0.351 69.3 -93.9 -82.5 162.4 12.8 37.9 -22.3 44 58 A A - 0 0 30 51,-0.3 51,-2.4 52,-0.1 2,-0.3 -0.309 32.4-153.7 -78.2 151.0 12.1 39.1 -18.8 45 59 A V E -F 94 0C 16 49,-0.3 2,-0.3 -8,-0.1 49,-0.2 -0.811 3.9-161.5-116.3 162.6 11.2 37.0 -15.7 46 60 A G E -F 93 0C 4 47,-2.6 47,-2.2 -2,-0.3 2,-0.3 -0.881 7.0-171.1-131.7 167.1 9.3 37.8 -12.5 47 61 A A E -F 92 0C 2 17,-0.4 17,-3.0 -2,-0.3 2,-0.3 -0.984 4.5-174.6-156.7 159.2 9.2 36.1 -9.2 48 62 A N E -FG 91 63C 3 43,-2.1 43,-3.1 -2,-0.3 2,-0.5 -0.974 23.6-118.9-154.8 156.8 7.3 36.3 -5.9 49 63 A V E -F 90 0C 2 13,-2.3 2,-0.6 -2,-0.3 13,-0.3 -0.892 15.1-162.3-106.3 130.4 7.3 34.6 -2.4 50 64 A V E -F 89 0C 17 39,-2.8 39,-2.0 -2,-0.5 2,-0.5 -0.945 8.7-170.2-113.7 108.9 4.4 32.7 -1.1 51 65 A L E -F 88 0C 12 -2,-0.6 8,-2.0 9,-0.3 2,-0.4 -0.865 7.9-160.1 -97.4 123.9 4.6 32.3 2.7 52 66 A R E -FH 87 58C 94 35,-3.2 35,-1.9 -2,-0.5 5,-0.0 -0.923 7.6-136.9-113.8 140.5 2.1 29.8 4.1 53 67 A D > - 0 0 19 4,-1.9 3,-2.6 -2,-0.4 31,-0.1 -0.126 41.5 -80.2 -88.6-177.6 1.0 29.7 7.7 54 68 A P T 3 S+ 0 0 56 0, 0.0 31,-0.1 0, 0.0 -1,-0.1 0.774 133.0 48.5 -61.7 -22.4 0.5 26.7 10.0 55 69 A R T 3 S- 0 0 161 2,-0.1 31,-0.1 0, 0.0 -2,-0.0 0.207 122.6-104.9 -94.2 15.0 -3.0 26.1 8.4 56 70 A G < + 0 0 37 -3,-2.6 30,-0.0 1,-0.2 0, 0.0 0.567 69.3 151.4 78.6 8.3 -1.6 26.4 4.9 57 71 A R - 0 0 125 1,-0.1 -4,-1.9 -5,-0.0 -1,-0.2 -0.602 43.9-123.1 -78.7 127.0 -3.1 29.9 4.3 58 72 A P B -H 52 0C 79 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.302 18.8-130.3 -73.2 148.9 -1.0 32.0 1.8 59 73 A G - 0 0 34 -8,-2.0 3,-0.1 1,-0.2 -7,-0.0 -0.005 43.4 -61.9 -80.6-167.1 0.4 35.4 2.7 60 74 A P - 0 0 102 0, 0.0 -9,-0.3 0, 0.0 -1,-0.2 -0.282 68.1 -72.7 -77.8 162.2 0.1 38.6 0.7 61 75 A W - 0 0 94 1,-0.1 -11,-0.1 -3,-0.1 -13,-0.0 -0.402 55.3-178.3 -50.3 119.5 1.4 39.3 -2.8 62 76 A T - 0 0 25 -13,-0.3 -13,-2.3 -2,-0.1 -1,-0.1 -0.674 6.6-164.9-132.5 77.6 5.1 39.6 -2.2 63 77 A P B -G 48 0C 70 0, 0.0 -15,-0.3 0, 0.0 2,-0.2 -0.368 10.4-141.9 -68.6 144.4 6.9 40.3 -5.5 64 78 A M - 0 0 14 -17,-3.0 -17,-0.4 12,-0.1 2,-0.3 -0.510 10.0-152.8 -98.4 168.0 10.7 39.8 -5.6 65 79 A R E -C 75 0A 140 10,-2.1 10,-2.4 -2,-0.2 2,-0.4 -0.958 31.3 -93.1-137.7 154.4 13.3 42.0 -7.3 66 80 A E E -C 74 0A 69 -2,-0.3 8,-0.3 8,-0.2 -20,-0.0 -0.583 31.8-148.7 -69.1 123.0 16.7 41.3 -8.8 67 81 A L S S+ 0 0 63 6,-2.9 -1,-0.1 -2,-0.4 7,-0.1 0.737 79.6 3.8 -69.6 -26.6 19.3 42.1 -6.0 68 82 A A S > S- 0 0 42 5,-0.5 3,-1.5 -3,-0.0 5,-0.4 -0.956 94.1 -92.9-157.3 140.0 22.1 43.2 -8.4 69 83 A P T 3 S+ 0 0 128 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.260 104.8 10.3 -65.7 147.6 21.9 43.5 -12.2 70 84 A G T 3 S+ 0 0 71 1,-0.1 -4,-0.0 2,-0.0 0, 0.0 0.552 100.7 98.3 67.3 8.9 23.0 40.4 -14.2 71 85 A T S < S- 0 0 70 -3,-1.5 3,-0.1 2,-0.2 -1,-0.1 0.621 76.2-140.8-100.1 -16.8 23.2 38.1 -11.2 72 86 A D + 0 0 65 -4,-0.3 -35,-1.9 1,-0.2 2,-0.5 0.684 58.5 133.1 57.5 24.2 19.8 36.3 -11.6 73 87 A R E -B 36 0A 43 -5,-0.4 -6,-2.9 -37,-0.2 -5,-0.5 -0.913 35.7-172.8-106.0 121.1 19.5 36.4 -7.8 74 88 A W E +BC 35 66A 30 -39,-3.3 -39,-2.5 -2,-0.5 2,-0.3 -0.813 5.6 175.0-117.8 149.2 16.1 37.6 -6.7 75 89 A G E -BC 34 65A 0 -10,-2.4 -10,-2.1 -2,-0.3 2,-0.3 -0.992 14.9-177.8-150.2 158.5 14.7 38.5 -3.3 76 90 A A E -B 33 0A 5 -43,-2.1 -43,-2.8 -2,-0.3 2,-0.4 -0.966 31.4-113.1-148.7 156.2 11.9 39.9 -1.2 77 91 A T E -B 32 0A 82 -2,-0.3 2,-0.3 -45,-0.2 -45,-0.2 -0.738 31.8-172.1 -85.7 131.3 11.3 40.5 2.5 78 92 A V E -B 31 0A 6 -47,-3.0 -47,-2.1 -2,-0.4 2,-0.4 -0.845 12.7-140.5-118.2 161.4 8.7 38.4 4.3 79 93 A T E -B 30 0A 76 -2,-0.3 -49,-0.2 -49,-0.2 2,-0.2 -0.986 11.7-133.6-131.1 128.0 7.3 38.8 7.8 80 94 A A - 0 0 1 -51,-2.0 -52,-2.6 -2,-0.4 -51,-0.1 -0.523 25.2-179.5 -76.5 136.3 6.5 36.0 10.3 81 95 A G + 0 0 28 1,-0.3 -52,-0.2 -2,-0.2 -1,-0.1 0.366 50.4 9.1-102.9-123.6 3.2 36.2 12.1 82 96 A E S S- 0 0 80 1,-0.1 -1,-0.3 -55,-0.1 108,-0.1 -0.149 86.1 -91.4 -59.8 156.3 1.8 33.7 14.7 83 97 A T S S+ 0 0 70 -3,-0.1 2,-0.3 106,-0.1 108,-0.2 -0.270 77.4 73.6 -70.3 150.0 4.0 30.9 16.1 84 98 A G E S- I 0 190C 24 106,-2.3 106,-2.8 318,-0.1 2,-0.7 -0.840 87.5 -42.7 138.6-171.4 4.1 27.5 14.6 85 99 A T E + I 0 189C 93 -2,-0.3 104,-0.2 104,-0.2 2,-0.1 -0.817 59.4 173.8 -96.7 116.2 5.6 25.7 11.5 86 100 A W E - I 0 188C 28 102,-3.3 102,-2.0 -2,-0.7 2,-0.3 -0.401 15.6-145.3-104.3-177.1 5.2 27.7 8.3 87 101 A S E -FI 52 187C 32 -35,-1.9 -35,-3.2 100,-0.3 2,-0.4 -0.975 3.9-152.1-148.9 156.4 6.5 27.1 4.8 88 102 A Y E -FI 51 186C 2 98,-2.1 98,-2.2 -2,-0.3 2,-0.3 -0.997 9.1-177.3-136.1 147.4 7.7 29.2 1.9 89 103 A T E -F 50 0C 16 -39,-2.0 -39,-2.8 -2,-0.4 2,-0.5 -0.939 18.6-139.6-135.3 146.4 7.8 28.8 -1.8 90 104 A V E -F 49 0C 0 -2,-0.3 93,-2.1 -41,-0.2 2,-0.5 -0.962 15.4-155.3-107.5 131.9 9.2 31.0 -4.6 91 105 A E E -FJ 48 182C 35 -43,-3.1 -43,-2.1 -2,-0.5 2,-0.3 -0.924 9.5-167.3-105.3 132.8 7.1 31.3 -7.7 92 106 A A E +FJ 47 181C 0 89,-3.4 89,-2.3 -2,-0.5 2,-0.3 -0.891 12.8 164.4-118.8 152.1 8.9 32.2 -11.0 93 107 A W E -F 46 0C 14 -47,-2.2 -47,-2.6 -2,-0.3 86,-0.2 -0.996 41.5 -95.6-159.2 153.7 7.3 33.3 -14.2 94 108 A G E -FJ 45 178C 0 84,-2.8 84,-2.4 -2,-0.3 -49,-0.3 -0.553 31.5-149.5 -68.3 142.8 7.8 34.9 -17.6 95 109 A D > + 0 0 25 -51,-2.4 4,-1.7 -2,-0.2 3,-0.3 -0.713 22.1 172.6-117.5 78.4 6.9 38.6 -17.5 96 110 A P H > S+ 0 0 18 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.797 73.2 57.9 -64.2 -30.8 5.7 39.2 -21.0 97 111 A V H > S+ 0 0 9 79,-0.4 4,-2.7 2,-0.2 5,-0.2 0.937 105.5 48.6 -65.1 -43.8 4.5 42.8 -20.3 98 112 A T H > S+ 0 0 70 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.913 114.8 47.1 -62.3 -39.9 7.9 43.9 -19.2 99 113 A T H X S+ 0 0 14 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.950 112.0 48.6 -65.1 -48.6 9.4 42.3 -22.3 100 114 A W H X S+ 0 0 17 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.923 110.0 52.7 -59.4 -44.5 6.8 43.8 -24.7 101 115 A R H X S+ 0 0 29 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.911 108.0 50.8 -57.6 -43.8 7.3 47.3 -23.2 102 116 A H H X S+ 0 0 112 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.929 114.6 42.3 -61.9 -48.0 11.0 47.2 -23.7 103 117 A H H X S+ 0 0 74 -4,-2.0 4,-2.8 1,-0.2 3,-0.5 0.909 113.3 53.6 -66.1 -40.2 10.7 46.2 -27.4 104 118 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.858 101.9 57.3 -61.8 -41.5 7.8 48.7 -28.0 105 119 A R H < S+ 0 0 133 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.815 115.7 37.6 -62.1 -31.1 9.8 51.7 -26.6 106 120 A I H X S+ 0 0 102 -4,-1.0 4,-0.9 -3,-0.5 -2,-0.2 0.927 119.7 44.6 -80.8 -51.7 12.5 51.0 -29.2 107 121 A K H X>S+ 0 0 61 -4,-2.8 5,-2.2 1,-0.2 4,-0.6 0.798 105.7 57.7 -70.0 -34.5 10.4 49.9 -32.2 108 122 A I H ><5S+ 0 0 13 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.952 109.8 42.6 -68.2 -50.6 7.6 52.6 -32.1 109 123 A P H 345S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.759 114.6 55.3 -60.8 -23.0 9.9 55.6 -32.4 110 124 A A H 3<5S- 0 0 76 -4,-0.9 -2,-0.2 2,-0.1 -3,-0.1 0.564 108.3-126.4 -84.3 -10.5 11.8 53.6 -35.1 111 125 A G T <<5 + 0 0 57 -3,-1.1 2,-0.8 -4,-0.6 3,-0.3 0.726 55.7 152.2 72.4 23.3 8.7 53.0 -37.2 112 126 A L S S+ 0 0 102 -2,-0.8 4,-2.6 3,-0.1 -1,-0.2 0.891 81.5 167.3 53.4 42.7 6.1 47.0 -37.6 114 128 A T H > + 0 0 31 -3,-0.3 4,-2.6 1,-0.2 5,-0.3 0.921 68.2 48.1 -67.8 -42.1 4.3 49.5 -35.3 115 129 A D H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 114.6 48.0 -59.3 -43.6 0.7 48.3 -35.9 116 130 A L H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.937 112.9 48.2 -60.6 -46.0 1.9 44.7 -35.3 117 131 A V H X S+ 0 0 4 -4,-2.6 4,-1.7 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4,-2.5 -5,-0.2 5,-0.3 0.902 111.3 51.2 -70.3 -40.8 -40.8 82.2 21.7 1045 409 B A H X S+ 0 0 60 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.884 111.2 49.8 -61.6 -37.0 -43.0 80.5 19.1 1046 410 B D H X S+ 0 0 72 -4,-2.2 4,-1.0 2,-0.2 5,-0.2 0.964 114.4 42.1 -69.7 -49.4 -45.1 79.0 21.8 1047 411 B I H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.7 0.943 118.1 43.9 -63.6 -49.2 -45.7 82.3 23.8 1048 412 B N H 3< S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.693 101.3 71.0 -71.7 -19.4 -46.3 84.5 20.7 1049 413 B G H 3< S+ 0 0 64 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.865 118.0 20.1 -61.9 -37.0 -48.5 81.8 19.2 1050 414 B T H << S+ 0 0 84 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.683 141.5 29.4-100.0 -23.8 -51.1 82.7 21.9 1051 415 B D >< + 0 0 37 -4,-2.5 3,-2.5 -5,-0.2 -2,-0.2 -0.610 61.4 171.6-141.5 71.9 -49.8 86.2 22.9 1052 416 B P T 3 S+ 0 0 78 0, 0.0 -210,-0.3 0, 0.0 -4,-0.1 0.596 74.1 71.7 -65.3 -10.4 -48.2 87.9 19.8 1053 417 B D T 3 S+ 0 0 52 -212,-0.1 2,-0.3 -3,-0.1 -5,-0.1 0.584 72.6 109.5 -78.8 -11.1 -48.0 91.1 21.7 1054 418 B V < - 0 0 0 -3,-2.5 2,-0.4 -7,-0.1 -28,-0.2 -0.526 57.1-153.7 -73.4 131.2 -45.2 89.7 24.0 1055 419 B I E -t 1026 0P 4 -30,-2.2 -28,-2.7 -2,-0.3 2,-0.5 -0.895 5.7-161.6-107.4 130.3 -41.8 91.2 23.4 1056 420 B F E -t 1027 0P 1 -2,-0.4 21,-1.9 18,-0.3 20,-0.6 -0.949 2.1-160.9-112.6 131.3 -38.5 89.4 24.2 1057 421 B L E -tu10281077P 0 -30,-2.5 -28,-2.7 -2,-0.5 2,-0.7 -0.952 11.9-143.7-112.0 123.2 -35.2 91.3 24.5 1058 422 B A E -tu10291078P 2 19,-2.4 21,-2.6 -2,-0.5 2,-1.4 -0.769 6.9-161.7 -95.1 116.8 -32.0 89.3 24.1 1059 423 B E E +t 1030 0P 8 -30,-2.1 2,-0.7 -2,-0.7 -28,-0.6 -0.522 37.6 146.3 -90.1 67.9 -29.2 90.3 26.4 1060 424 B A + 0 0 4 -2,-1.4 2,-1.0 19,-0.2 -2,-0.1 -0.880 23.2 177.6-112.7 97.5 -26.5 88.5 24.3 1061 425 B F + 0 0 51 -2,-0.7 2,-0.2 20,-0.0 19,-0.1 -0.837 47.5 99.4 -95.6 92.9 -23.2 90.3 24.2 1062 426 B T S S- 0 0 32 -2,-1.0 -2,-0.0 1,-0.2 0, 0.0 -0.626 75.6 -30.4-156.3-157.7 -21.3 87.8 22.1 1063 427 B R > - 0 0 190 -2,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.373 59.6-110.4 -79.8 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0.429 136.8 -64.4 -89.9 2.0 -35.3 82.9 15.4 1074 438 B G T < 5S+ 0 0 5 -3,-1.5 2,-0.3 -4,-0.5 -18,-0.3 0.259 81.2 137.6 145.3 -15.0 -37.7 85.2 17.3 1075 439 B F < - 0 0 0 -5,-2.1 -1,-0.3 1,-0.2 32,-0.2 -0.416 37.7-155.8 -66.7 123.2 -36.2 87.8 19.6 1076 440 B Q S S+ 0 0 1 -20,-0.6 2,-0.3 -2,-0.3 -19,-0.2 0.774 75.5 17.8 -68.8 -30.2 -38.1 91.0 19.1 1077 441 B Q E -u 1057 0P 0 -21,-1.9 -19,-2.4 29,-0.1 2,-0.3 -0.960 66.8-159.7-142.0 153.6 -35.2 93.1 20.4 1078 442 B S E -uv10581108P 4 29,-2.4 31,-2.5 -2,-0.3 -19,-0.2 -0.992 21.4-123.0-134.8 143.1 -31.5 92.7 21.0 1079 443 B Y - 0 0 3 -21,-2.6 -19,-0.2 -2,-0.3 2,-0.2 -0.502 41.0-158.7 -69.4 163.5 -28.9 94.4 23.1 1080 444 B T - 0 0 5 29,-0.5 3,-0.3 -2,-0.2 31,-0.1 -0.584 33.1 -91.3-138.0-177.9 -26.0 95.6 20.9 1081 445 B Y S > S+ 0 0 42 1,-0.2 3,-2.6 -2,-0.2 29,-0.0 0.302 80.5 120.8 -82.4 8.3 -22.3 96.7 20.9 1082 446 B F G > + 0 0 1 1,-0.3 3,-2.8 2,-0.2 -1,-0.2 0.819 64.3 57.2 -45.3 -51.4 -23.4 100.3 21.5 1083 447 B T G 3 S+ 0 0 6 -3,-0.3 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0 0 118 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.920 116.8 47.6 -62.9 -44.4 -19.9 102.1 11.0 1094 458 B Y H X S+ 0 0 8 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.917 112.2 46.3 -69.1 -41.3 -22.0 100.5 13.6 1095 459 B L H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.778 108.4 57.7 -72.2 -26.7 -25.2 102.4 13.0 1096 460 B T H X S+ 0 0 82 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.864 109.2 46.9 -66.7 -36.3 -24.8 101.9 9.2 1097 461 B E H ><>S+ 0 0 107 -4,-1.6 5,-0.8 2,-0.2 3,-0.8 0.956 114.9 44.3 -67.0 -48.9 -24.8 98.1 10.0 1098 462 B L H 3<5S+ 0 0 5 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.808 115.3 46.4 -70.7 -31.3 -27.9 98.3 12.3 1099 463 B S H 3<5S+ 0 0 18 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.516 111.1 61.2 -87.8 -5.3 -30.0 100.5 10.1 1100 464 B G T X<5S- 0 0 37 -3,-0.8 3,-1.6 -4,-0.5 4,-0.2 0.373 121.2 -29.4 -93.8-133.9 -29.2 98.5 6.9 1101 465 B E G > 5S+ 0 0 149 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.810 128.9 66.9 -58.8 -34.0 -30.0 94.8 6.1 1102 466 B A G >> -B 1117 0U 2 3,-1.4 3,-1.7 -2,-0.3 33,-0.1 -0.942 47.0 -93.2-141.3 170.3 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